[CP2K-user] [CP2K:17235] GEN2-xTB Implementation/addition

mdsimula...@gmail.com mdsimulationgroup at gmail.com
Mon Jun 27 16:50:37 UTC 2022


Hello,

Is there any plans to add GEN2-xTB to CP2K?

https://pubs.acs.org/doi/10.1021/acs.jctc.8b01176

Thanks,
Joe

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